0 B9R1.11 BrCC(=O)C1=CC=CS1 AK-53454 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.11 BrCC(C1=NC=CS1)=O AK-45640 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.11 C1=C(C(=O)OC)SC=N1 AK-29865 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.11 CCC(C1=NC=CS1)=O AK113134 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.11 COC(=O)C1=CNC=C1 AK-39320 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.11 COC(=O)C1=COC=N1 AK100835 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.11 COC(=O)C1=NC=CO1 AK109950 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.11 O=C(C1=CC=CN1)OC AK-27729 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.11 O=C(C1=CC=CS1)OC AK-48323 [0,0,0,0,0,0|0,1,0]=1 9 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.11 O=C(C1=CN=CN1)OC AK-25496 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.11 O=C(C1=CN=CN1)OC AK-40808 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.11 O=C(C1=CNN=C1)OC AK-65272 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.11 O=C(C1=CSC=C1)OC AK-48045 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.11 O=C(C1=CSC=N1)OC AK-21853 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.11 O=C(C1=NC=CN1)OC AK-59662 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.11 O=C(C1=NC=CS1)OC AK-50497 [0,0,0,0,0,0|1,1,0]=2 17 B9R1.11 O=C(C1=NNC=C1)OC AK-31981 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.11 O=C(C1=NNC=N1)OC AK-30559 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 C1=C(B(O)O)OC=C1 AK-47548 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.7 C1=C(C(=O)O)[NH]C=N1 AK-25282 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 C1=COC=C1C(O)=O AK-32276 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 C1=CSC(=N1)C(C)=O AK-46781 [1,0,0,0,0,0|1,1,0]=3 23 B8R1.7 C1=NC=C(S1)C(=O)O AK-27761 [1,0,0,0,0,0|1,1,0]=3 24 B8R1.7 C1=N[NH]C=C1C(O)=O AK-25877 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.7 CC(=O)C1=CC=CN1 AK-53458 [1,0,0,0,0,0|1,0,0]=2 26 B8R1.7 CC(=O)C1=CC=NO1 AK-68495 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.7 CC(=O)C1=CSC=C1 AK-44537 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 CC(C1=CC=CO1)C AK120816 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.7 C[C@H](N)C1=CC=CO1 AK544263 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 C[C@H](N)C1=CC=CS1 AK486945 [1,0,0,0,0,0|1,1,1]=4 31 B8R1.7 NC(=O)C1=COC=N1 AK-99961 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 O1C=CC(=N1)C(=O)O AK-27692 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.7 O1N=CC(=N1)C(=O)O AK-32069 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 O=C(C1=CC=CN1)O AK-44225 [1,0,0,0,0,0|1,0,0]=2 35 B8R1.7 O=C(C1=CC=CO1)O AK-72863 [1,0,0,0,0,0|0,0,0]=1 36 B8R1.7 O=C(C1=CC=CS1)[O-] AK110095 [1,0,0,0,0,0|0,1,1]=3 37 B8R1.7 O=C(C1=CC=NO1)O AK-25596 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.7 O=C(C1=CC=NS1)O AK-94814 [1,0,0,0,0,0|1,1,0]=3 39 B8R1.7 O=C(C1=CCCC1)O AK-33463 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.7 O=C(C1=CN=CO1)O AK-28732 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.7 O=C(C1=CNC=C1)C AK-45953 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 O=C(C1=CNC=N1)C AK-45163 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.7 O=C(C1=COC=N1)O AK-29026 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 O=C(C1=CSC=C1)O AK-46373 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 O=C(C1=CSC=N1)O AK-23931 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.7 O=C(C1=CSN=C1)O AK-84534 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 O=C(C1=NC=CN1)N AK139797 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 O=C(C1=NC=CO1)[O-] AK-93393 [1,0,0,0,0,0|1,0,1]=3 49 B8R1.7 O=C(C1=NNC=C1)N AK-27992 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 O=C(C1=NNC=C1)O AK-29904 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.7 O=C(C1CC=CC1)O AK-36334 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.7 O=C([C@H]1NCC=C1)O AK-77612 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.7 O=[N+](C1=CC=CN1)[O-] AK-77322 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.7 OB(C1=CC=CS1)O AK-46314 [1,0,0,0,0,0|1,1,1]=4 55 B8R1.7 OC(=O)C1=CNC=C1 AK-26450 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 OC(=O)C1=CNN=N1 AK-28855 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.7 S1C=C(N=C1)C(C)=O AK-39395 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 S1C=CN=C1C(=O)O AK-21895 [1,0,0,0,0,0|1,1,0]=3 59 B8R1.7 S=C(C1=CC=CS1)N AK-40144 [1,0,0,0,0,0|1,2,0]=4 60 B8R1.7 [C@@H]1(NCC=C1)C(O)=O AK-45899 [1,0,0,0,0,0|1,0,2]=4 61 B8R1.7 [NH]1C=CN=C1C(=O)O AK-27693 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 [O-]C(=O)C1=CC=CS1 AK111442 [1,0,0,0,0,0|0,1,1]=3 63 B8R1.8 CNCC1=CC=CS1 AK-16718 [1,0,0,0,0,0|1,1,1]=4 64 B10R1.11 C1=C(C(=O)OCC)SC=N1 AK-29162 [0,1,0,0,0,0|1,1,0]=3 65 B10R1.11 C1=C([NH]C=N1)C(OCC)=O AK-25642 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O AK-39974 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.11 C1=N[NH]C=C1C(OCC)=O AK-27126 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.11 CCOC(=O)C1=CNC=C1 AK-41135 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.11 O=C(C1=CC=NO1)OCC AK-68489 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.11 O=C(C1=CN=NS1)OCC AK112966 [0,1,0,0,0,0|2,1,0]=4 72 B10R1.11 O=C(C1=CNN=N1)OCC AK-76943 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.11 O=C(C1=COC=N1)OCC AK-28248 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.11 O=C(C1=NC=CO1)OCC AK-68691 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.11 O=C(C1=NNC=C1)OCC AK-45333 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.14 C1=C(C(C=O)=O)SC(=C1)Br AK-10033 [0,1,0,0,0,0|2,1,0]=4 77 B10R1.14 C1=C(C(OC)=O)N=C(S1)N AK-15127 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.14 C1=C(C(OC)=O)SC(=N1)Br AK-23911 [0,1,0,0,0,0|1,1,0]=3 79 B10R1.14 C1=C(C(OC)=O)SC(=N1)N AK-23910 [0,1,0,0,0,0|1,1,0]=3 80 B10R1.14 C1=C(N=C(S1)Br)C(=O)OC AK-21789 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.14 C1=C(SC=C1N)C(OC)=O AK-36782 [0,1,0,0,0,0|0,1,0]=2 82 B10R1.14 CC[C@H](C1=CC=C(C)O1)N AK172686 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.14 COC(=O)C1=CC(=CO1)Br AK-39920 [0,1,0,0,0,0|0,0,0]=1 84 B10R1.14 COC(=O)C1=CC(Br)=CN1 AK-23914 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.14 COC(=O)C1=CC(Br)=CS1 AK-55210 [0,1,0,0,0,0|0,1,0]=2 86 B10R1.14 COC(=O)C1=CC(C)=NO1 AK-99990 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.14 COC(=O)C1=CC(NO1)=O AK-32642 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.14 COC(=O)C1=CNC(Br)=C1 AK-63235 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.14 COC(=O)C1=COC(C)=C1 AK-28257 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.14 COC(=O)C1=NN=C(C)O1 AK-65307 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.14 COC(=O)C1=NNC(Br)=C1 AK109827 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.14 COC(=O)C1=NNC(C)=C1 AK-77018 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.14 COC(=O)C1=N[N](C=N1)C AK-42049 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.14 ClC1=NC=C(S1)C(=O)OC AK-65059 [0,1,0,0,0,0|1,1,0]=3 95 B10R1.14 NC1=CC(=N[NH]1)C(=O)OC AK-35933 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.14 O=C(C1=CC=C(Br)N1)OC AK-47142 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.14 O=C(C1=CC=C(Br)O1)OC AK-43914 [0,1,0,0,0,0|0,0,0]=1 98 B10R1.14 O=C(C1=CC=C(Br)S1)OC AK-40321 [0,1,0,0,0,0|0,1,0]=2 99 B10R1.14 O=C(C1=CC=C(C)O1)OC AK124407 [0,1,0,0,0,0|0,0,0]=1 100 B10R1.14 O=C(C1=CC=C(N)S1)OC AK-40138 [0,1,0,0,0,0|0,1,0]=2 101 B10R1.14 O=C(C1=CN(C)N=C1)OC AK-75955 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.14 O=C(C1=CN=C(Br)O1)OC AK-75897 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.14 O=C(C1=CN=C(C)O1)OC AK-26225 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.14 O=C(C1=CN=C(Cl)O1)OC AK-77391 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.14 O=C(C1=CN=C(N)S1)NC AK164189 [0,1,0,0,0,0|2,1,0]=4 106 B10R1.14 O=C(C1=COC(Br)=N1)OC AK-41107 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.14 O=C(C1=COC(Cl)=N1)OC AK-36915 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.14 O=C(C1=CSC(Br)=C1)OC AK138265 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.14 O=C(C1=NC(Br)=CS1)OC AK146642 [0,1,0,0,0,0|1,1,0]=3 110 B10R1.14 O=C(C1=NC(C)=CS1)OC AK-68231 [0,1,0,0,0,0|1,1,0]=3 111 B10R1.14 O=C(C1=NC=C(C)S1)OC AK-76566 [0,1,0,0,0,0|1,1,0]=3 112 B10R1.14 O=C(C1=NNC(Br)=N1)OC AK-32278 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.14 O=C(C1=NNC(N)=N1)OC AK-32277 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.14 O=C(C1=NNC(O)=C1)OC AK-77271 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.14 O=C(C1=NOC(C)=C1)NC AK686886 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.149 BrC1=C(N=CS1)C(=O)OC AK-22046 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.149 C1=CSC(=C1C(OC)=O)N AK-26003 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.149 CC1=C(C=CS1)C(=O)OC AK-40494 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.149 CC1=C(SC=N1)C(=O)OC AK-27820 [0,1,0,0,0,0|1,1,0]=3 120 B10R1.149 CC1=N[NH]C=C1C(=O)OC AK-31098 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.149 COC(=O)C1=C(Br)SC=C1 AK-68215 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.149 COC(=O)C1=C(C)C=CO1 AK-89345 [0,1,0,0,0,0|0,0,0]=1 123 B10R1.149 COC(=O)C1=C(Cl)C=CN1 AK109924 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.149 COC(=O)C1=CSC=C1Br AK102742 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.149 COC(=O)C1=NNC=C1I AK100557 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.149 COC(=O)C1=NSN=C1Br AK-28803 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.149 COC(C1=N[NH]C=C1Br)=O AK-39576 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.149 NC1=C(OC=C1)C(=O)OC AK-28297 [0,1,0,0,0,0|0,0,0]=1 129 B10R1.149 O=C(C1=C(Br)C=CS1)OC AK-24670 [0,1,0,0,0,0|0,1,0]=2 130 B10R1.149 O=C(C1=C(C)C=CS1)OC AK-29549 [0,1,0,0,0,0|0,1,0]=2 131 B10R1.149 O=C(C1=C(Cl)N=CS1)OC AK501937 [0,1,0,0,0,0|1,1,0]=3 132 B10R1.149 O=C(C1=C(F)C=CS1)OC AK-40928 [0,1,0,0,0,0|0,1,0]=2 133 B10R1.149 O=C(C1=C(N)C=CS1)OC AK-26736 [0,1,0,0,0,0|0,1,0]=2 134 B10R1.149 O=C(C1=C(N)C=NN1)OC AK134904 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.149 O=C(C1=C(N)N=CS1)OC AK-24209 [0,1,0,0,0,0|1,1,0]=3 136 B10R1.149 O=C(C1=C(O)C=CN1)OC AK123374 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.149 O=C(C1=C(O)C=CS1)OC AK-41067 [0,1,0,0,0,0|0,1,0]=2 138 B10R1.149 O=C(C1=CC=NN1C)OC AK119024 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.149 O=C(C1=CNC=C1C)OC AK126219 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.149 O=C(C1=CNN=C1N)OC AK-40062 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.149 O=C(C1=NC=CN1C)OC AK139738 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.149 O=C(C1=NNC=C1N)OC AK-65279 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.3 C=CCC(N)C(OC)=O AK164017 [0,0,1,0,0,0|1,0,2]=4 144 B10R2.32 C1=CSC2=C1CCC2=O AK-38055 [0,0,0,1,0,0|1,1,0]=3 145 B10R1.15 C1=C(C(OC)=O)C=CN=C1 AK-46755 [0,0,0,0,0,1|1,0,0]=2 146 B10R1.15 C1=C(C(OC)=O)N=CC=C1 AK-46574 [0,0,0,0,0,1|1,0,0]=2 147 B10R1.15 C1=CC=NC=C1C(OC)=O AK-47410 [0,0,0,0,0,1|1,0,0]=2 148 B10R1.15 C1=NC=CN=C1C(OC)=O AK-47365 [0,0,0,0,0,1|1,0,0]=2 149 B10R1.15 COC(=O)C1=CCCCC1 AK-89355 [0,0,0,0,0,1|1,0,2]=4 150 B10R1.15 COC(=O)C1=CCOCC1 AK-32760 [0,0,0,0,0,1|1,0,2]=4 151 B10R1.15 N1=NC=C(C=C1)C(=O)OC AK-48857 [0,0,0,0,0,1|2,0,0]=3 152 B10R1.15 NCC(C1=CC=CC=C1)=O AK-26107 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.15 NNC(=O)C1=CC=NC=C1 AK-46317 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.15 NNC(C1=CC=CN=C1)=O AK-44810 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.15 O=C(C1=NC=CC=C1)CBr AK-44981 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.15 O=C(C1=NC=CC=N1)OC AK-24352 [0,0,0,0,0,1|1,0,0]=2 157 B10R1.15 O=C(C1=NC=NC=C1)NN AK-68698 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.15 O=C(C1=NN=CC=C1)OC AK-68100 [0,0,0,0,0,1|1,0,0]=2 159 B10R1.15 O=C(NC)C1=CC=CC=C1 AK323662 [0,0,0,0,0,1|2,0,0]=3 160 B10R1.15 O=C(NN)C1=NC=CC=C1 AK117449 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.15 O=C(NN)C1=NC=CN=C1 AK-48495 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.15 O=S(C1=CC=CC=C1)OC AK109245 [0,0,0,0,0,1|2,0,0]=3 163 B10R1.15 OCC(=O)C1=CC=CC=C1 AK-94786 [0,0,0,0,0,1|3,0,0]=4 164 B7R0.4 C\C=C\C=C\C([O-])=O AK-47286 [1,0,1,0,0,0|1,0,1]=4 165 B7R1.1 C1=C(N=CS1)C=O AK-23930 [2,0,0,0,0,0|2,0,0]=4 166 B7R1.1 C1=C(SC=C1)C=O AK-26482 [2,0,0,0,0,0|0,1,0]=3 167 B7R1.1 C1=C([NH]C=N1)C=O AK-41612 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.1 C1=CN=C(C=O)[NH]1 AK-49186 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.1 C1=CSC(=N1)C=O AK-46309 [2,0,0,0,0,0|1,1,0]=4 170 B7R1.1 CCC1=CC=CS1 AK-76635 [2,0,0,0,0,0|0,1,1]=4 171 B7R1.1 COC1=CC=CS1 AK-60885 [2,0,0,0,0,0|0,1,0]=3 172 B7R1.1 COC1=CSC=C1 AK-60944 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.1 COC1=NC=CS1 AK-46322 [2,0,0,0,0,0|1,1,0]=4 174 B7R1.1 O=CC1=CC=CN1 AK-25235 [2,0,0,0,0,0|1,0,0]=3 175 B7R1.1 O=CC1=CN=CS1 AK-39378 [2,0,0,0,0,0|1,1,0]=4 176 B7R1.1 O=CC1=CNC=C1 AK-36182 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.1 O=CC1=CSC=C1 AK-42964 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.1 OCC1=CC=CS1 AK-93468 [2,0,0,0,0,0|0,1,1]=4 179 B7R1.1 OCC1=CC=NO1 AK-68490 [2,0,0,0,0,0|1,0,1]=4 180 B7R1.1 OCC1=CN=CO1 AK-25343 [2,0,0,0,0,0|1,0,1]=4 181 B7R1.1 OCC1=NC=CO1 AK-29821 [2,0,0,0,0,0|1,0,1]=4 182 B7R1.1 [NH]1C=CC(=N1)C=O AK-25900 [2,0,0,0,0,0|2,0,0]=4 183 B9R0.24 O=C(OC)\C=C\C(OC)=O AK144836 [0,1,1,0,0,0|2,0,0]=4 184 B9R1.19 O=S(C1=CC=CS1)(O)=O AK-53556 [1,1,0,0,0,0|1,1,0]=4 185 B9R1.35 BrC1=CC(=CS1)C(=O)O AK-28622 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.35 BrC1=CC(=CS1)C(C)=O AK-35777 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.35 C1=C(C(=O)O)SC(=N1)N AK-24488 [1,1,0,0,0,0|1,1,0]=4 188 B9R1.35 C1=C(C)[NH]N=C1C(O)=O AK-27812 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.35 C1=C(N=C(S1)N)C(=O)C AK-54799 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.35 C1=C(OC(=C1)Br)C(O)=O AK-35759 [1,1,0,0,0,0|0,0,0]=2 191 B9R1.35 C1=C(OC(=C1)C)C(O)=O AK-44799 [1,1,0,0,0,0|0,0,0]=2 192 B9R1.35 C1=C(ON=C1Br)C(=O)O AK-21783 [1,1,0,0,0,0|1,0,0]=3 193 B9R1.35 C1=C(SC(=C1)C(O)=O)Cl AK-29045 [1,1,0,0,0,0|0,1,0]=3 194 B9R1.35 C1=C(SC(=C1)C)C(=O)C AK-33183 [1,1,0,0,0,0|0,1,0]=3 195 B9R1.35 C1=C(SC(=C1)Cl)C(C)=O AK-47623 [1,1,0,0,0,0|0,1,0]=3 196 B9R1.35 C1=C(SC(=N1)C)C(=O)O AK-35030 [1,1,0,0,0,0|1,1,0]=4 197 B9R1.35 CC(=O)C1=CC=C(C)O1 AK-77189 [1,1,0,0,0,0|0,0,0]=2 198 B9R1.35 CC(=O)C1=NC(C)=CO1 AK-80747 [1,1,0,0,0,0|1,0,0]=3 199 B9R1.35 CC(=O)C1=NOC(C)=C1 AK-47045 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.35 CC(C1=CC(Cl)=CS1)=O AK-77338 [1,1,0,0,0,0|0,1,0]=3 201 B9R1.35 CC1=CC=C(N1)C(O)=O AK100045 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.35 CC1=CN=C(S1)C(=O)O AK-26650 [1,1,0,0,0,0|1,1,0]=4 203 B9R1.35 CN1C=CC(=C1)C(O)=O AK-28665 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.35 ClC1=CC(=CS1)C(=O)O AK-29222 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.35 O=C(C1=CC(Br)=CN1)N AK106602 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.35 O=C(C1=CC(Br)=CO1)N AK120768 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.35 O=C(C1=CC(Br)=CS1)N AK-90412 [1,1,0,0,0,0|1,1,0]=4 208 B9R1.35 O=C(C1=CC(Br)=CS1)O AK-24697 [1,1,0,0,0,0|0,1,0]=3 209 B9R1.35 O=C(C1=CC(C)=NO1)O AK-29291 [1,1,0,0,0,0|1,0,0]=3 210 B9R1.35 O=C(C1=CC(O)=NO1)N AK143689 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.35 O=C(C1=CC(O)=NO1)O AK-58553 [1,1,0,0,0,0|1,0,0]=3 212 B9R1.35 O=C(C1=CC=C(Br)S1)O AK-26297 [1,1,0,0,0,0|0,1,0]=3 213 B9R1.35 O=C(C1=CC=C(C)S1)O AK-25546 [1,1,0,0,0,0|0,1,0]=3 214 B9R1.35 O=C(C1=CC=C(Cl)O1)O AK-94156 [1,1,0,0,0,0|0,0,0]=2 215 B9R1.35 O=C(C1=CC=C(F)S1)O AK-35162 [1,1,0,0,0,0|0,1,0]=3 216 B9R1.35 O=C(C1=CC=C(I)S1)O AK113691 [1,1,0,0,0,0|0,1,0]=3 217 B9R1.35 O=C(C1=CN(C)C=N1)O AK-30010 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.35 O=C(C1=CN=C(Br)S1)O AK-26941 [1,1,0,0,0,0|1,1,0]=4 219 B9R1.35 O=C(C1=CN=C(C)O1)O AK-43778 [1,1,0,0,0,0|1,0,0]=3 220 B9R1.35 O=C(C1=CNC(C)=C1)O AK-78330 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.35 O=C(C1=CNC(C)=N1)O AK-78654 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.35 O=C(C1=COC(Br)=N1)O AK-76031 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.35 O=C(C1=COC(I)=N1)O AK-41227 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.35 O=C(C1=CSC(Br)=N1)O AK-23610 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.35 O=C(C1=CSC(Cl)=N1)O AK-48303 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.35 O=C(C1=NC(Br)=CS1)O AK-40795 [1,1,0,0,0,0|1,1,0]=4 227 B9R1.35 O=C(C1=NC(C)=CN1)O AK-29453 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.35 O=C(C1=NC=C(Br)S1)O AK122038 [1,1,0,0,0,0|1,1,0]=4 229 B9R1.35 O=C(C1=NN(C)C=C1)O AK-79303 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.35 O=C(C1=NNC(Br)=C1)O AK128451 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.35 O=C(C1=NNC(Cl)=C1)O AK112708 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.35 O=C(C1=NOC(C)=C1)O AK-25795 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 AK-48243 [1,1,0,0,0,0|1,1,0]=4 234 B9R1.35 O=C(O)C1=CC(Br)=CO1 AK-41331 [1,1,0,0,0,0|0,0,0]=2 235 B9R1.35 O=C1NN(C(C)=O)C=C1 AK676222 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.35 OC(=O)C1=CC(Br)=CN1 AK-27737 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.35 OC(=O)C1=CC(Cl)=CS1 AK-89071 [1,1,0,0,0,0|0,1,0]=3 238 B9R1.35 OC(=O)C1=CC(F)=CS1 AK-29152 [1,1,0,0,0,0|0,1,0]=3 239 B9R1.35 OC(=O)C1=CC=C(Br)N1 AK100216 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.35 OC(=O)C1=CNC(=O)N1 AK-68699 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.35 OC(=O)C1=COC(Cl)=N1 AK-72648 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.35 OC(=O)C1=NNC(O)=C1 AK-96196 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.41 C1=NC(=C(C(O)=O)O1)C AK-25663 [1,1,0,0,0,0|1,0,0]=3 244 B9R1.41 CC(C1=CC=CN1C)=O AK148515 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.41 CC(C1=CN=CN1C)=O AK140652 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.41 CC1=C(C=CN1)C(O)=O AK-77215 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.41 CC1=C(OC=C1)C(O)=O AK-89342 [1,1,0,0,0,0|0,0,0]=2 248 B9R1.41 CN1C=CN=C1C(C)=O AK-54843 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.41 CN1N=CC=C1C(C)=O AK-40773 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.41 ClC1=C(C=CS1)C(=O)O AK-29355 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.41 FC1=C(SC=C1)C(=O)O AK-29153 [1,1,0,0,0,0|0,1,0]=3 252 B9R1.41 O=C(C1=C(Br)C=CS1)O AK-29480 [1,1,0,0,0,0|0,1,0]=3 253 B9R1.41 O=C(C1=C(Br)C=NN1)O AK-59621 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.41 O=C(C1=C(Br)SC=C1)O AK-34310 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.41 O=C(C1=C(Br)SC=N1)O AK-22047 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.41 O=C(C1=C(C)C=CN1)O AK-36827 [1,1,0,0,0,0|1,0,0]=3 257 B9R1.41 O=C(C1=C(C)C=CS1)O AK-25644 [1,1,0,0,0,0|0,1,0]=3 258 B9R1.41 O=C(C1=C(C)C=NO1)O AK-25674 [1,1,0,0,0,0|1,0,0]=3 259 B9R1.41 O=C(C1=C(C)N=CS1)O AK-29930 [1,1,0,0,0,0|1,1,0]=4 260 B9R1.41 O=C(C1=C(C)OC=N1)O AK-24069 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.41 O=C(C1=C(C)SC=C1)O AK-33900 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.41 O=C(C1=C(C)SC=N1)O AK-25323 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.41 O=C(C1=C(Cl)C=NN1)O AK-75702 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.41 O=C(C1=C(Cl)C=NS1)O AK314030 [1,1,0,0,0,0|1,1,0]=4 265 B9R1.41 O=C(C1=C(I)C=CS1)O AK167455 [1,1,0,0,0,0|0,1,0]=3 266 B9R1.41 O=C(C1=C(I)C=NN1)O AK-92905 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.41 O=C(C1=CC=CN1N)N AK-45334 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.41 O=C(C1=CC=NN1C)O AK-33521 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.41 O=C(C1=CN=CN1C)O AK-35106 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.41 O=C(C1=CSC=C1C)O AK-64461 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.41 O=C(C1=NC=CN1C)O AK-28560 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.41 O=C(C1=NNC=C1Br)O AK-46340 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.41 O=C(C1=NOC=C1C)O AK101261 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.41 OC(=O)C1=C(Br)C=CO1 AK110945 [1,1,0,0,0,0|0,0,0]=2 275 B9R1.41 OC(=O)C1=C(Cl)C=CS1 AK-48375 [1,1,0,0,0,0|0,1,0]=3 276 B9R1.12 CCOCC1=CC=CO1 AK119688 [1,1,0,0,0,0|0,0,1]=3 277 B9R1.12 O=C\C=C\C1=CC=CO1 AK-88542 [1,1,0,0,0,0|1,0,1]=4 278 B9R1.13 CN(C)C=C1C=CC=C1 AK-79365 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.16 C1=C(C(OCC)=O)N=CC=C1 AK-48935 [0,1,0,0,0,1|1,0,0]=3 280 B11R1.16 CCCC(C1=CC=CC=C1)=O AK164430 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.16 CCCC(C1=CC=CN=C1)=O AK123326 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.16 CCOC(=O)C1=NC=CC=N1 AK-85955 [0,1,0,0,0,1|1,0,0]=3 283 B11R1.16 O=C(C1=NC=CN=C1)OCC AK-40036 [0,1,0,0,0,1|1,0,0]=3 284 B11R1.16 O=C(OCC)C1=CC=NC=C1 AK-50699 [0,1,0,0,0,1|1,0,0]=3 285 B11R1.16 O=C(OCC)C1=CN=CC=C1 AK-88428 [0,1,0,0,0,1|1,0,0]=3 286 B11R1.16 O=C(OCCl)C1=CC=CC=C1 AK-86220 [0,1,0,0,0,1|1,0,0]=3 287 B11R1.22 BrC1=CN=C(C=N1)C(=O)OC AK-24801 [0,1,0,0,0,1|1,0,0]=3 288 B11R1.22 C1=C(C=CC(=C1)Br)C(OC)=O AK-47340 [0,1,0,0,0,1|1,0,0]=3 289 B11R1.22 C1=C(C=CC(=C1)Cl)C(CC)=O AK-47430 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.22 C1=C(C=CC(=C1)N)C(OC)=O AK-48394 [0,1,0,0,0,1|1,0,0]=3 291 B11R1.22 C1=CC(=CN=C1C(OC)=O)Br AK-25721 [0,1,0,0,0,1|1,0,0]=3 292 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl AK-32450 [0,1,0,0,0,1|1,0,0]=3 293 B11R1.22 C1=NC(=CC=C1C(=O)OC)Br AK-27762 [0,1,0,0,0,1|1,0,0]=3 294 B11R1.22 CCC(C1=CC=C(Br)C=C1)=O AK133038 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.22 CCC(C1=CC=C(F)C=C1)=O AK-77665 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.22 CCC(C1=CC=C(I)C=C1)=O AK149241 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.22 CCC(C1=CC=C(O)C=C1)=O AK-44068 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 AK-42930 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 AK-57163 [0,1,0,0,0,1|1,0,0]=3 300 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 AK-25021 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.22 COC(C1=NC=C(C=N1)Br)=O AK-28412 [0,1,0,0,0,1|1,0,0]=3 302 B11R1.22 ClC1=CC=C(N=N1)C(=O)OC AK-24016 [0,1,0,0,0,1|1,0,0]=3 303 B11R1.22 ClC1=CN=C(C=N1)C(=O)OC AK-23920 [0,1,0,0,0,1|1,0,0]=3 304 B11R1.22 FC1=CC=C(C=N1)C(=O)OC AK-40001 [0,1,0,0,0,1|1,0,0]=3 305 B11R1.22 NC1=CN=C(C=C1)C(=O)OC AK-24592 [0,1,0,0,0,1|1,0,0]=3 306 B11R1.22 NC1=NC=C(C=N1)C(=O)OC AK-21981 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.22 O=C(C1=CNC(N=C1)=O)OC AK138906 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.22 O=C(C1=COC(C=C1)=O)OC AK-94193 [0,1,0,0,0,1|0,0,0]=2 309 B11R1.22 O=C(C1=NC=C(Cl)C=C1)OC AK-33121 [0,1,0,0,0,1|1,0,0]=3 310 B11R1.22 O=C(C1=NC=C(F)C=N1)OC AK128119 [0,1,0,0,0,1|1,0,0]=3 311 B11R1.22 O=C(C1=NC=C(N)N=C1)OC AK-59002 [0,1,0,0,0,1|1,0,0]=3 312 B11R1.22 O=C(C1=NC=C(O)C=C1)OC AK-48134 [0,1,0,0,0,1|1,0,0]=3 313 B11R1.22 O=C(NC)C1=CC=C(Br)C=C1 AK-86242 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.22 O=C(NC)C1=CN=C(Cl)C=C1 AK-41767 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.22 O=C(OC)C1=CC=C(C)C=C1 AK110414 [0,1,0,0,0,1|1,0,0]=3 316 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 AK-45398 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.22 O=C(OC)C1=CC=C(I)C=C1 AK-45406 [0,1,0,0,0,1|1,0,0]=3 318 B11R1.22 O=C(OC)C1=CC=C(O)C=C1 AK-54335 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.22 O=C(OC)C1=CN=C(C)C=C1 AK-28562 [0,1,0,0,0,1|1,0,0]=3 320 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 AK-25008 [0,1,0,0,0,1|1,0,0]=3 321 B11R1.22 O=C(OC)C1=CN=C(O)C=C1 AK-26234 [0,1,0,0,0,1|1,0,0]=3 322 B11R1.22 O=C(OC)C1=NC=C(C)C=C1 AK-76225 [0,1,0,0,0,1|1,0,0]=3 323 B11R1.22 O=C1NN=C(C=C1)C(=O)OC AK-72777 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.22 OC1=CN=C(C=N1)C(=O)OC AK-24812 [0,1,0,0,0,1|1,0,0]=3 325 B11R1.23 BrC1=CC(=NC=C1)C(=O)OC AK-24538 [0,1,0,0,0,1|1,0,0]=3 326 B11R1.23 C1=C(C=CC=C1C(OC)=O)O AK-47384 [0,1,0,0,0,1|1,0,0]=3 327 B11R1.23 C1=C(C=NC=C1C(OC)=O)Br AK-25229 [0,1,0,0,0,1|1,0,0]=3 328 B11R1.23 C1=C(C=NC=C1C)C(OC)=O AK-39649 [0,1,0,0,0,1|1,0,0]=3 329 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O AK-16616 [0,1,0,0,0,1|1,0,0]=3 330 B11R1.23 C1=C(Cl)N=CC=C1C(OC)=O AK-28605 [0,1,0,0,0,1|1,0,0]=3 331 B11R1.23 C1=C(N=CC=C1C(OC)=O)N AK-25223 [0,1,0,0,0,1|1,0,0]=3 332 B11R1.23 C1=CC=C(N=C1C(OC)=O)C AK-32150 [0,1,0,0,0,1|1,0,0]=3 333 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 AK101591 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.23 CCC(C1=CC=CC(F)=C1)=O AK548314 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.23 CCC(C1=CC=CC(O)=C1)=O AK-45536 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.23 CCC(C1=NC=CC(Cl)=C1)=O AK146218 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.23 COC(=O)C1=CC(=O)NC=C1 AK-30181 [0,1,0,0,0,1|1,0,0]=3 338 B11R1.23 COC(=O)C1=CC(Br)=NC=C1 AK-29954 [0,1,0,0,0,1|1,0,0]=3 339 B11R1.23 COC(=O)C1=CC(C)=NC=C1 AK-33626 [0,1,0,0,0,1|1,0,0]=3 340 B11R1.23 COC(=O)C1=CC=CC(=O)N1 AK-64715 [0,1,0,0,0,1|1,0,0]=3 341 B11R1.23 COC(=O)C1=CC=NC(Br)=N1 AK-76962 [0,1,0,0,0,1|1,0,0]=3 342 B11R1.23 COC(=O)C1=NC(Br)=CC=N1 AK110267 [0,1,0,0,0,1|1,0,0]=3 343 B11R1.23 COC(=O)C1=NC(C)=CC=N1 AK100031 [0,1,0,0,0,1|1,0,0]=3 344 B11R1.23 COC(=O)C1=NC=CC(C)=C1 AK-58362 [0,1,0,0,0,1|1,0,0]=3 345 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 AK-25656 [0,1,0,0,0,1|1,0,0]=3 346 B11R1.23 COC(C1=CC=CC(=N1)Br)=O AK-27818 [0,1,0,0,0,1|1,0,0]=3 347 B11R1.23 ClC1=CC(=CN=N1)C(=O)OC AK-32830 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.23 ClC1=CC=NC(=C1)C(=O)NC AK-28999 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.23 ClC1=CN=CC(=N1)C(=O)OC AK-29037 [0,1,0,0,0,1|1,0,0]=3 350 B11R1.23 ClC1=NC=CC(=N1)C(=O)OC AK-33388 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.23 FC1=CC=CC(=C1)C(=O)OC AK-47674 [0,1,0,0,0,1|1,0,0]=3 352 B11R1.23 NC1=CC(=CN=C1)C(=O)OC AK-28608 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.23 NC1=CN=CC(=N1)C(=O)OC AK-28731 [0,1,0,0,0,1|1,0,0]=3 354 B11R1.23 O=C(C1=NC(Br)=CN=C1)OC AK-39151 [0,1,0,0,0,1|1,0,0]=3 355 B11R1.23 O=C(C1=NC(C)=CN=C1)OC AK130648 [0,1,0,0,0,1|1,0,0]=3 356 B11R1.23 O=C(C1=NC(Cl)=CC=C1)OC AK-51763 [0,1,0,0,0,1|1,0,0]=3 357 B11R1.23 O=C(C1=NC(N)=NC=C1)OC AK-76214 [0,1,0,0,0,1|1,0,0]=3 358 B11R1.23 O=C(C1=NC=CC(N)=C1)OC AK-36192 [0,1,0,0,0,1|1,0,0]=3 359 B11R1.23 O=C(C1=NC=NC(Br)=C1)OC AK152485 [0,1,0,0,0,1|1,0,0]=3 360 B11R1.23 O=C(C1=NC=NC(Cl)=C1)OC AK-64323 [0,1,0,0,0,1|1,0,0]=3 361 B11R1.23 O=C(C=1C=CNC(N1)=O)OC AK-76285 [0,1,0,0,0,1|1,0,0]=3 362 B11R1.23 O=C(C=1NC=NC(C1)=O)OC AK-68874 [0,1,0,0,0,1|1,0,0]=3 363 B11R1.23 O=C(NC)C1=CC=CC(N)=C1 AK-34399 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.23 O=C(NC)C1=NC=CC(Cl)=C1 AK-38402 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.23 O=C(OC)C1=CC=CC(Br)=C1 AK-73031 [0,1,0,0,0,1|1,0,0]=3 366 B11R1.23 O=C(OC)C1=CC=CC(Cl)=C1 AK117218 [0,1,0,0,0,1|1,0,0]=3 367 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 AK-81947 [0,1,0,0,0,1|1,0,0]=3 368 B11R1.23 O=C(OC)C1=CC=CC(N)=C1 AK-43961 [0,1,0,0,0,1|1,0,0]=3 369 B11R1.23 O=C(OC)C1=CC=NC(F)=C1 AK-86837 [0,1,0,0,0,1|1,0,0]=3 370 B11R1.23 O=C(OC)C1=NC(F)=CC=C1 AK-87700 [0,1,0,0,0,1|1,0,0]=3 371 B11R1.23 O=C(OC)C1=NC(N)=CC=C1 AK-37656 [0,1,0,0,0,1|1,0,0]=3 372 B11R1.23 O=C(OC)C1=NC=CC(I)=C1 AK-29979 [0,1,0,0,0,1|1,0,0]=3 373 B11R1.23 O=C1C=C(C(OC)=O)CCC1 AK164521 [0,1,0,0,0,1|1,0,1]=4 374 B11R1.23 OC1=CC(=CN=C1)C(=O)OC AK-47062 [0,1,0,0,0,1|1,0,0]=3 375 B11R1.36 CC(C(C1=CC=CC=C1)=O)=O AK116651 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.222 BrC1=CN=CN=C1C(=O)OC AK-25053 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.222 BrC1=NC=CN=C1C(=O)OC AK-30735 [0,1,0,0,0,1|1,0,0]=3 378 B11R1.222 C1=C(C(=O)OC)C(=NC=C1)F AK-25162 [0,1,0,0,0,1|1,0,0]=3 379 B11R1.222 C1=CC=CC(=C1C(OC)=O)Br AK-72980 [0,1,0,0,0,1|1,0,0]=3 380 B11R1.222 C1=CC=NC(=C1C(OC)=O)Cl AK-44999 [0,1,0,0,0,1|1,0,0]=3 381 B11R1.222 C1=CC=NC(=C1C(OC)=O)N AK-27747 [0,1,0,0,0,1|1,0,0]=3 382 B11R1.222 C1=CN=C(C(=N1)C(OC)=O)N AK-29912 [0,1,0,0,0,1|1,0,0]=3 383 B11R1.222 CC1=C(C(=O)OC)C=CC=N1 AK-27990 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.222 CCC(C1=CC=CC=C1Cl)=O AK-86142 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.222 COC(=O)C1=C(C)N=CC=N1 AK-97091 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.222 COC(=O)C1=C(C=NC=C1)I AK-23705 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.222 COC(=O)C1=C(N)C=CC=C1 AK-41339 [0,1,0,0,0,1|1,0,0]=3 388 B11R1.222 COC(=O)C1=CC=NNC1=O AK100226 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.222 COC(=O)C1=CN=CN=C1O AK-26014 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.222 COC(=O)C1=NC=CC=C1C AK-61199 [0,1,0,0,0,1|1,0,0]=3 391 B11R1.222 ClC1=C(N=CC=C1)C(=O)OC AK-23912 [0,1,0,0,0,1|1,0,0]=3 392 B11R1.222 ClC1=NC=CN=C1C(=O)OC AK-39173 [0,1,0,0,0,1|1,0,0]=3 393 B11R1.222 NC1=NC=NC=C1C(=O)OC AK-30806 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.222 O=C(C1=CC=CNC1=O)OC AK-28355 [0,1,0,0,0,1|1,0,0]=3 395 B11R1.222 O=C(C1=NC=CC=C1Br)OC AK-28556 [0,1,0,0,0,1|1,0,0]=3 396 B11R1.222 O=C(C1=NC=CC=C1F)OC AK-30151 [0,1,0,0,0,1|1,0,0]=3 397 B11R1.222 O=C(C1=NC=CC=C1O)OC AK-26201 [0,1,0,0,0,1|1,0,0]=3 398 B11R1.222 O=C(C1=NC=CN=C1I)OC AK-30597 [0,1,0,0,0,1|1,0,0]=3 399 B11R1.222 O=C(NC)C1=CC=CC=C1N AK-26614 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.222 O=C(OC)C1=C(O)N=CC=C1 AK-54451 [0,1,0,0,0,1|1,0,0]=3 401 B11R1.222 O=C(OC)C1=CC=CC=C1C AK174020 [0,1,0,0,0,1|1,0,0]=3 402 B11R1.222 O=C(OC)C1=CC=CC=C1Cl AK161838 [0,1,0,0,0,1|1,0,0]=3 403 B11R1.222 O=C(OC)C1=CC=CC=C1I AK-76653 [0,1,0,0,0,1|1,0,0]=3 404 B11R1.222 O=C(OC)C1=CC=CC=C1S AK554462 [0,1,0,0,0,1|1,0,0]=3 405 B11R1.222 O=C(OC)C1=CC=NC=C1Br AK-46004 [0,1,0,0,0,1|1,0,0]=3 406 B11R1.222 O=C(OC)C1=CC=NC=C1N AK-28029 [0,1,0,0,0,1|1,0,0]=3 407 B11R1.222 O=C(OC)C1=CC=NC=C1O AK-49202 [0,1,0,0,0,1|1,0,0]=3 408 B11R1.222 O=C(OC)C1=CN=CC=C1C AK-39773 [0,1,0,0,0,1|1,0,0]=3 409 B11R1.222 O=C(OC)C1=CN=CC=C1N AK-25475 [0,1,0,0,0,1|1,0,0]=3 410 B11R1.222 O=C(OC)C1=NC=CC=C1N AK-29219 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.222 OC1=NC=CN=C1C(=O)OC AK-39232 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.30 O=C(OCC)CC1=NNC=C1 AK320228 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.30 S1C=CN=C1CC(=O)OCC AK-31363 [0,1,0,0,0,1|1,1,0]=4 414 B11R1.39 COC(=O)CC1=CSC(N)=N1 AK-91762 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.39 O=C(OC)CN1N=CC(Br)=C1 AK-91876 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.15 BrC1=NC(=CO1)C(=O)OCC AK-28457 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.15 BrC1=NC=C(O1)C(=O)OCC AK-31146 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.15 BrC1=NOC(=C1)C(=O)OCC AK-21782 [0,2,0,0,0,0|1,0,0]=3 419 B11R1.15 C1=C(C(OCC)=O)N=C(S1)Br AK-23893 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.15 C1=C(C(OCC)=O)SC(=N1)N AK-24490 [0,2,0,0,0,0|1,1,0]=4 421 B11R1.15 C1=C(C)[NH]N=C1C(OCC)=O AK-30389 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.15 C1=C(N=C(C)S1)C(OCC)=O AK-35974 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.15 C1=C(N=C(N)S1)C(=O)OCC AK-23891 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.15 C1=C(N=C(O1)Cl)C(=O)OCC AK-22054 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.15 CCOC(=O)C1=CC(Br)=CS1 AK-80911 [0,2,0,0,0,0|0,1,0]=3 426 B11R1.15 CCOC(=O)C1=CC(Cl)=CS1 AK100368 [0,2,0,0,0,0|0,1,0]=3 427 B11R1.15 CCOC(=O)C1=CC(N)=CN1 AK-28276 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.15 CCOC(=O)C1=CC=C(C)N1 AK-34707 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.15 CCOC(=O)C1=CN=C(C)S1 AK-28121 [0,2,0,0,0,0|1,1,0]=4 430 B11R1.15 CCOC(=O)C1=COC(C)=N1 AK-68491 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.15 CCOC(=O)C1=CSC(Br)=C1 AK-63364 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.15 CCOC(=O)C1=NC(Br)=NO1 AK-56104 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.15 CCOC(=O)C1=NOC(N)=C1 AK-90028 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.15 ClC1=CC=C(S1)C(=O)OCC AK-35710 [0,2,0,0,0,0|0,1,0]=3 435 B11R1.15 ClC1=NC=C(S1)C(=O)OCC AK-24491 [0,2,0,0,0,0|1,1,0]=4 436 B11R1.15 O=C(C1=CC(Br)=CN1)OCC AK-28330 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.15 O=C(C1=CC(C)=NO1)OCC AK-76671 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.15 O=C(C1=CC(NN1)=O)OCC AK139789 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.15 O=C(C1=CC=C(Br)S1)OCC AK-35711 [0,2,0,0,0,0|0,1,0]=3 440 B11R1.15 O=C(C1=CN=C(Br)N1)OCC AK153194 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.15 O=C(C1=CN=C(Br)S1)OCC AK-44741 [0,2,0,0,0,0|1,1,0]=4 442 B11R1.15 O=C(C1=CN=C(Cl)O1)OCC AK-77693 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.15 O=C(C1=CN=C(N)N1)OCC AK-47615 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.15 O=C(C1=CN=C(N)O1)OCC AK-45628 [0,2,0,0,0,0|1,0,0]=3 445 B11R1.15 O=C(C1=COC(I)=N1)OCC AK149488 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.15 O=C(C1=COC(N)=N1)OCC AK-22052 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.15 O=C(C1=CSC(Cl)=N1)OCC AK-39574 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.15 O=C(C1=CSC(F)=N1)OCC AK-95283 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.15 O=C(C1=NC=C(Br)N1)OCC AK121838 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.15 O=C(C1=NN(C)C=C1)OCC AK135365 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.15 O=C(C1=NNC(Br)=C1)OCC AK134617 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.15 O=C(C1=NNC(N)=C1)OCC AK-26947 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.15 O=C(C1=NNC(O)=C1)OCC AK-78074 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.29 O=C(C1=CC=CS1)CCNC AK123073 [0,2,0,0,0,0|1,1,0]=4 455 B11R1.199 BrC1=C(N=CS1)C(=O)OCC AK-35870 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.199 CCOC(=O)C1=C(C)C=CN1 AK-37739 [0,2,0,0,0,0|1,0,0]=3 457 B11R1.199 CCOC(=O)C1=C(C)N=CS1 AK-25574 [0,2,0,0,0,0|1,1,0]=4 458 B11R1.199 CCOC(=O)C1=C(C)OC=N1 AK-49691 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.199 CCOC(=O)C1=C(Cl)SC=N1 AK-95298 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.199 CCOC(=O)C1=C(F)C=CN1 AK-72738 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.199 CCOC(=O)C1=C(I)C=NN1 AK100558 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.199 CCOC(=O)C1=C(N)C=CN1 AK-24627 [0,2,0,0,0,0|1,0,0]=3 463 B11R1.199 CCOC(=O)C1=NNC=C1Br AK-31101 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.199 C[N]1C=CN=C1C(=O)OCC AK-34590 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.199 O=C(C1=C(Br)N=CO1)OCC AK-49036 [0,2,0,0,0,0|1,0,0]=3 466 B11R1.199 O=C(C1=C(C)N=CO1)OCC AK-25571 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.199 O=C(C1=C(C)NC=C1)OCC AK-36920 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.199 O=C(C1=C(C)NC=N1)OCC AK-35422 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.199 O=C(C1=C(C)SC=C1)OCC AK-47986 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.199 O=C(C1=C(C)SC=N1)OCC AK-43463 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.199 O=C(C1=C(N)C=CN1)OCC AK-24584 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.199 O=C(C1=C(N)N=CN1)OCC AK162347 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.199 O=C(C1=C(N)NC=C1)OCC AK-57082 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.199 O=C(C1=C(N)SC=N1)OCC AK-94815 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.199 O=C(C1=CC=NN1C)OCC AK198701 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.199 O=C(C1=NNC=C1C)OCC AK128360 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.44 C(=O)C1=CC=C(S1)C(=O)OC AK-48442 [0,2,0,0,0,0|0,1,0]=3 478 B11R1.44 COC(=O)C1=CC(=N[NH]1)CC AK-26351 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.44 COC(=O)C1=COC(CCl)=N1 AK-24875 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.44 ClCC1=NC(=CS1)C(=O)OC AK-24874 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.44 O=C(C1=CSC(C=O)=C1)OC AK-40083 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.44 O=C(C1=CSC(C=O)=N1)OC AK174308 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.225 BrC1=NC(=C(S1)Br)C(=O)OC AK-22045 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.225 CC1=C(SC(=N1)N)C(=O)OC AK-46664 [0,2,0,0,0,0|1,1,0]=4 485 B11R1.225 COC(=O)C1=C(SC(=N1)N)Cl AK-15130 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.225 O=C(C1=C(Br)NC(Br)=C1)OC AK151326 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.225 O=C(C1=C(Br)SC(Cl)=N1)OC AK138805 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.225 O=C(C1=C(Br)SC(N)=N1)OC AK-15129 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.225 O=C(C1=C(N)C=C(Br)S1)OC AK-77276 [0,2,0,0,0,0|0,1,0]=3 490 B11R1.225 O=C(C1=C(N)C=C(C)S1)OC AK-79409 [0,2,0,0,0,0|0,1,0]=3 491 B11R1.225 O=C(C1=C(N)C=C(I)S1)OC AK-51537 [0,2,0,0,0,0|0,1,0]=3 492 B11R1.225 O=C(C1=C(N)SC(C)=C1)OC AK-33917 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.225 O=C(C1=C(N)SC(Cl)=C1)OC AK153104 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.225 O=C(C1=C(O)C=C(Cl)S1)OC AK-38695 [0,2,0,0,0,0|0,1,0]=3 495 B11R1.225 O=C(C1=CC(Br)=CN1N)OC AK170281 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.225 O=C(C1=CC(C)=NN1C)OC AK133239 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.225 O=C(C1=NC(Br)=CN1C)OC AK121847 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.225 O=C(C1=NN(C)C=C1Br)OC AK-39953 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.225 O=C(C1=NN(C)C=C1N)OC AK121642 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.225 OC1=C(SC(=C1)C)C(=O)OC AK-38893 [0,2,0,0,0,0|0,1,0]=3 501 B11R1.226 NC1=C(SC(=C1)C(=O)OC)Cl AK-22057 [0,2,0,0,0,0|0,1,0]=3 502 B11R1.226 O=C(C1=CC(Br)=C(Cl)S1)OC AK174199 [0,2,0,0,0,0|0,1,0]=3 503 B11R1.226 O=C(C1=CC(N)=C(N)S1)OC AK122523 [0,2,0,0,0,0|0,1,0]=3 504 B11R1.226 O=C(C1=NN(C)C(Br)=C1)OC AK146866 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.226 O=C(C1=NN(C)C(N)=C1)OC AK-51032 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.226 O=C(C1=NN(C)C(O)=C1)OC AK-40521 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.865 C1=C(C(=C(S1)C(OC)=O)N)C AK-27691 [0,2,0,0,0,0|0,1,0]=3 508 B11R1.865 COC(=O)C1=C(F)C(Br)=CS1 AK-30329 [0,2,0,0,0,0|0,1,0]=3 509 B11R1.865 COC(=O)C1=CSC(C)=C1N AK-80920 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.865 O=C(C1=C(N)C(C)=NN1)OC AK535250 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.865 O=C(C1=CN=C(S)N1C)OC AK206517 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.357 FC(F)(F)C(=O)C1=CC=CO1 AK-40489 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.59 O=C(C1=C(CC)NC=C1)OC AK173442 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.875 O=C(C1=C(C)SC=C1N)OC AK315122 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.875 O=C(C1=C(I)C=NN1C)OC AK-86658 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.875 O=C(C1=C(O)C=CN1C)OC AK162103 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.875 O=C(N1C(C=CC1=O)=O)OC AK116103 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.3 O=C1C(N)=CC=CN1C AK165118 [0,0,1,1,0,0|2,0,0]=4 519 B9R1.3 OC1=CC=CC(C)=C1Br AK-86289 [0,0,1,1,0,0|2,0,0]=4 520 B9R1.3 OC1=CC=CC(C)=C1F AK-36371 [0,0,1,1,0,0|2,0,0]=4 521 B9R1.3 OC1=CC=CC(C)=C1O AK-76819 [0,0,1,1,0,0|1,0,1]=4 522 B9R1.5 O=C1C(O)=CC=CC=C1 AK164435 [0,0,1,1,0,0|1,0,1]=4 523 B9R1.15 BrC1=CC=CN=C1OC AK-33153 [0,0,1,1,0,0|2,0,0]=4 524 B9R1.15 C1=C(I)C(=NC=C1)OC AK-25295 [0,0,1,1,0,0|2,0,0]=4 525 B9R1.15 C1=CC=CC(=C1OC)F AK-46555 [0,0,1,1,0,0|2,0,0]=4 526 B9R1.15 CC1=CC=CN=C1OC AK126197 [0,0,1,1,0,0|2,0,0]=4 527 B9R1.15 COC1=CC=CC=C1Br AK-76806 [0,0,1,1,0,0|2,0,0]=4 528 B9R1.15 COC1=NC=CC=C1Cl AK-33154 [0,0,1,1,0,0|2,0,0]=4 529 B9R1.15 COC1=NC=CC=C1F AK-33314 [0,0,1,1,0,0|2,0,0]=4 530 B9R1.15 NC1=CC=CN=C1OC AK-28363 [0,0,1,1,0,0|2,0,0]=4 531 B9R1.15 OC1=CC=CC=C1OC AK114448 [0,0,1,1,0,0|1,0,0]=3 532 B9R1.15 OC1=CC=CN=C1OC AK261041 [0,0,1,1,0,0|1,0,0]=3 533 B9R1.2 C1=CC=C(N=C1OC)Br AK-25939 [0,0,1,1,0,0|2,0,0]=4 534 B9R1.2 C1=CC=C(N=C1OC)C AK-44038 [0,0,1,1,0,0|2,0,0]=4 535 B9R1.2 C1=CC=C(N=C1OC)Cl AK-25492 [0,0,1,1,0,0|2,0,0]=4 536 B9R1.2 COC1=CC(Br)=CC=C1 AK-76817 [0,0,1,1,0,0|2,0,0]=4 537 B9R1.2 COC1=CC(Cl)=CC=C1 AK106212 [0,0,1,1,0,0|2,0,0]=4 538 B9R1.2 COC1=CC=CC(F)=N1 AK130132 [0,0,1,1,0,0|2,0,0]=4 539 B9R1.2 COC1=CN=CC(=C1)O AK-28499 [0,0,1,1,0,0|2,0,0]=4 540 B9R1.2 NC1=CC=CC(OC)=C1 AK309398 [0,0,1,1,0,0|2,0,0]=4 541 B9R1.2 NC1=NC(=CC=C1)OC AK-27734 [0,0,1,1,0,0|2,0,0]=4 542 B9R1.2 OC1=CC(OC)=NC=C1 AK-68345 [0,0,1,1,0,0|2,0,0]=4 543 B9R1.14 O=CC1=C(OC)C=CO1 AK320838 [0,0,1,1,0,0|2,0,0]=4 544 B11R2.1 C1=CC=CC2=C1C(CC2)=O AK-44115 [0,0,0,1,0,1|2,0,0]=4 545 B11R2.1 O=C1CCC2=CC=CN=C21 AK-29125 [0,0,0,1,0,1|2,0,0]=4 546 B11R2.1 O=C1NCC2=C1C=CC=C2 AK-68456 [0,0,0,1,0,1|2,0,0]=4 547 B11R2.1 O=C1NCC2=C1C=CC=N2 AK103949 [0,0,0,1,0,1|2,0,0]=4 548 B11R2.1 O=C1NCC2=C1C=CN=C2 AK173131 [0,0,0,1,0,1|2,0,0]=4 549 B11R2.1 O=C1OCC2=C1C=CC=C2 AK-78719 [0,0,0,1,0,1|1,0,0]=3 550 B11R2.1 O=C1OCC2=NC=CC=C12 AK-45766 [0,0,0,1,0,1|1,0,0]=3 551 B11R2.106 C1(NCC[N]2C1=CC=C2)=O AK-31113 [0,1,0,1,0,0|2,0,0]=4 552 B11R2.106 O=C1C=2OC=CC2N=CN1 AK-31353 [0,1,0,1,0,0|1,0,1]=4 553 B9R1.6 C1=C(C(=O)C)C=CN=C1 AK-65203 [1,0,0,0,0,1|1,0,0]=3 554 B9R1.6 C1=C(C(C)=O)N=CC=C1 AK-53417 [1,0,0,0,0,1|1,0,0]=3 555 B9R1.6 C1=C(C(N)=O)C=CN=C1 AK-47864 [1,0,0,0,0,1|2,0,0]=4 556 B9R1.6 C1=C(N=CC=N1)C(=O)C AK-16901 [1,0,0,0,0,1|1,0,0]=3 557 B9R1.6 C1=C(N=NC=C1)C(O)=O AK-28139 [1,0,0,0,0,1|1,0,0]=3 558 B9R1.6 C1=CN=CN=C1C(=O)O AK-23926 [1,0,0,0,0,1|1,0,0]=3 559 B9R1.6 C1=NC=CN=C1C(O)=O AK-47505 [1,0,0,0,0,1|1,0,0]=3 560 B9R1.6 C1=NC=NC=C1C(=O)O AK-24470 [1,0,0,0,0,1|2,0,0]=4 561 B9R1.6 CC(=O)C1=CC=CN=N1 AK-83539 [1,0,0,0,0,1|1,0,0]=3 562 B9R1.6 CC(=O)C1=CC=NN=C1 AK-30816 [1,0,0,0,0,1|2,0,0]=4 563 B9R1.6 CC(=O)C1=NC=CC=N1 AK-35526 [1,0,0,0,0,1|1,0,0]=3 564 B9R1.6 CC(C1=CN=CN=C1)=O AK-32388 [1,0,0,0,0,1|2,0,0]=4 565 B9R1.6 CC(C1=NC=NC=C1)=O AK-40767 [1,0,0,0,0,1|1,0,0]=3 566 B9R1.6 N1=C(N=CC=C1)C(=O)O AK-24353 [1,0,0,0,0,1|1,0,0]=3 567 B9R1.6 N1=NC=C(C=C1)C(=O)O AK-26044 [1,0,0,0,0,1|2,0,0]=4 568 B9R1.6 NC(=O)C1=CN=CC=N1 AK-94813 [1,0,0,0,0,1|2,0,0]=4 569 B9R1.6 O=C(C1=CCCCO1)O AK-78816 [1,0,0,0,0,1|0,0,2]=4 570 B9R1.6 O=C(Cl)C1=NC=CC=C1 AK-49118 [1,0,0,0,0,1|2,0,0]=4 571 B9R1.6 O=C(N)C1=CC=CC=C1 AK-77684 [1,0,0,0,0,1|2,0,0]=4 572 B9R1.6 O=C(N)C1=CN=CC=C1 AK112769 [1,0,0,0,0,1|2,0,0]=4 573 B9R1.6 O=C(N)C1=NC=CC=C1 AK106190 [1,0,0,0,0,1|2,0,0]=4 574 B9R1.6 O=C(O)C1=CN=CC=C1 AK-46486 [1,0,0,0,0,1|1,0,0]=3 575 B9R1.6 O=C(O)C1=NC=CC=C1 AK-50286 [1,0,0,0,0,1|1,0,0]=3 576 B9R1.6 OC(=O)C1=CC=NC=C1 AK-49896 [1,0,0,0,0,1|1,0,0]=3 577 B9R1.8 C1=C(N=CC=C1)COC AK-32294 [1,0,0,0,0,1|1,0,1]=4 578 B11R1.40 O=C(NC)CC1=CC=CN=C1 AK175433 [0,0,0,0,0,2|2,0,0]=4 579 B11R1.40 O=C(OC)CC1=CC=CC=C1 AK163377 [0,0,0,0,0,2|1,0,0]=3 580 B11R1.40 O=C(OC)CC1=NC=CN=C1 AK-45166 [0,0,0,0,0,2|1,0,0]=3 581 B11R1.40 O=C(OC)CC1=NC=NC=C1 AK-47129 [0,0,0,0,0,2|1,0,0]=3 582 B11R1.40 O=C(OC)OC1=CC=CC=C1 AK600729 [0,0,0,0,0,2|1,0,0]=3 583 B11R1.25 O=C(OC)CCC1=CC=CN1 AK-86682 [0,0,0,0,0,2|1,0,0]=3